1-ethyl-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 685409
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: C1(C(=O)N(CCCc2n(ccn2)C)C)CN(C(=O)C1)CC
• Canonical SMILES: CCN1CC(CC1=O)C(=O)N(CCCc1nccn1C)C
• InChI: InChI=1S/C15H24N4O2/c1-4-19-11-12(10-14(19)20)15(21)18(3)8-5-6-13-16-7-9-17(13)2/h7,9,12H,4-6,8,10-11H2,1-3H3
• InChIKey: KFULBJBVBUOXCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-ethyl-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2851061
• LogD (pH = 7.4): -0.59009546
• Log P: -0.55154425
• Molar Refractivity: 80.8502 cm^3
• Polarizability: 30.871183 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.81
• LOG S: -1.95
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 6